0 B17R3.1910 C1CN=C(Nc2cccc3CCCc32)N1 Amb22055537 [0,0,0,0,0,0|0,0,0]=0 1 B17R3.1910 C1Oc2cccc(NC=3NCCN3)c2O1 Amb24096249 [0,0,0,0,0,0|2,0,0]=2 2 B18R3.4227 Clc1ccc2c(c1NC3=NCCN3)nsn2 Amb2453666 [0,1,0,0,0,0|3,0,0]=4 3 B18R3.1438206 O=C(c1cccc2CCCc21)N3CCCN3 Amb25516004 [0,1,0,0,0,0|3,0,0]=4 4 B16R2.2304 CCOc1ccccc1NC2=NCCS2 Amb1103949 [0,0,1,0,0,0|2,0,0]=3 5 B16R2.2304 CCOc1ccccc1\N=C\2/CCCN2 Amb19388099 [0,0,1,0,0,0|2,0,1]=4 6 B16R3.5924 C1CCC(=C1)c2cccc3NCCc23 Amb25069080 [0,0,0,0,1,0|3,0,0]=4 7 B16R3.5924 C1CCc2c(cccc21)-c3ccc[nH]3 Amb25101013 [0,0,0,0,1,0|1,0,2]=4 8 B16R3.5924 C1CCc2c(cccc21)C3CCCN3 Amb24419951 [0,0,0,0,1,0|1,0,1]=3 9 B16R3.5924 C1CCc2c(cccc21)[C@@H]3CCCN3 Amb25097111 [0,0,0,0,1,0|1,0,1]=3 10 B16R3.5924 C1CNC(=N1)c2cccc3[nH][n]cc23 Amb24507499 [0,0,0,0,1,0|2,0,1]=4 11 B16R3.5924 C1COc2cccc([C@@H]3CCCN3)c21 Amb25167845 [0,0,0,0,1,0|2,0,1]=4 12 B16R3.5924 C1COc2cccc([C@H]3CCCN3)c21 Amb24625778 [0,0,0,0,1,0|2,0,1]=4 13 B18R3.11 C(C=1NCCN1)c2cccc3CCCCc32 Amb22733386 [0,0,0,0,0,1|1,0,0]=2 14 B18R3.11 C1CN=C(Nc2cccc3CCCCc32)N1 Amb22269247 [0,0,0,0,0,1|0,0,0]=1 15 B18R3.11 C1CN=C(Nc2cccc3CCCCc32)N1 Amb22731531 [0,0,0,0,0,1|0,0,0]=1 16 B18R3.11 C1NCCc2c(cccc21)NC3CCCC3 Amb19109444 [0,0,0,0,0,1|2,0,1]=4 17 B15R2.2053 COc1cc(CC=2NCCN2)ccc1 Amb18564751 [1,0,1,0,0,0|2,0,0]=4 18 B15R2.2053 CSc1cc(ccc1)NC=2NCCN2 Amb24506718 [1,0,1,0,0,0|1,0,0]=3 19 B15R2.2053 N#Cc1cc(ccc1)NC=2NCCN2 Amb24422617 [1,0,1,0,0,0|1,0,1]=4 20 B15R2.1109 Cc1c(Br)cccc1NC2=NCCS2 Amb24383840 [1,0,1,0,0,0|2,0,0]=4 21 B15R2.1109 Cc1c(Br)cccc1NC=2NCCN2 Amb25691358 [1,0,1,0,0,0|1,0,0]=3 22 B15R2.1109 Cc1c(Cl)cccc1NC2=NCCO2 Amb25276318 [1,0,1,0,0,0|2,0,0]=4 23 B15R2.1109 Cc1c(Cl)cccc1NC=2CCCN2 Amb25110789 [1,0,1,0,0,0|2,0,0]=4 24 B15R2.1109 Cc1c(F)cccc1NC=2CCCN2 Amb25088709 [1,0,1,0,0,0|2,0,0]=4 25 B15R2.1109 Cc1c(I)cccc1NC2=NCCS2 Amb24425979 [1,0,1,0,0,0|2,0,0]=4 26 B15R2.1109 Cc1c(N)cccc1NC=2CCCN2 Amb24670545 [1,0,1,0,0,0|2,0,0]=4 27 B15R2.1109 Cc1cccc(NC2=NCCS2)c1F Amb25337950 [1,0,1,0,0,0|2,0,0]=4 28 B15R2.1109 Cc1cccc(NC=2CCCN2)c1Cl Amb24753670 [1,0,1,0,0,0|2,0,0]=4 29 B15R2.1109 Cc1cccc(NC=2CCCN2)c1F Amb25069193 [1,0,1,0,0,0|2,0,0]=4 30 B15R2.1109 Cc1cccc(NC=2NCCN2)c1C Amb24089501 [1,0,1,0,0,0|0,0,0]=2 31 B15R2.1109 Cc1cccc(NC=2NCCN2)c1Cl Amb25668120 [1,0,1,0,0,0|1,0,0]=3 32 B15R2.1109 Clc1cccc(c1C)NC2=NCCS2 Amb2262896 [1,0,1,0,0,0|2,0,0]=4 33 B15R2.1109 Fc1c(Cl)cccc1NC=2NCCN2 Amb25768690 [1,0,1,0,0,0|2,0,0]=4 34 B15R2.1109 Fc1cccc(NC=2NCCN2)c1F Amb24631319 [1,0,1,0,0,0|2,0,0]=4 35 B15R2.1109 Fc1cccc(NC=2NCCN2)c1I Amb24535566 [1,0,1,0,0,0|2,0,0]=4 36 B15R2.123 CCc1ccccc1\N=C/2\NCCO2 Amb25790548 [1,0,1,0,0,0|1,0,1]=4 37 B15R2.123 COc1ccccc1CC=2NCCN2 Amb18564750 [1,0,1,0,0,0|2,0,0]=4 38 B15R2.123 COc1ccccc1NC2=NCCS2 Amb1103973 [1,0,1,0,0,0|2,0,0]=4 39 B15R2.123 COc1ccccc1NC=2NCCN2 Amb25690998 [1,0,1,0,0,0|1,0,0]=3 40 B15R2.123 CSc1ccccc1NC=2NCCN2 Amb25277169 [1,0,1,0,0,0|1,0,0]=3 41 B15R2.4278 NCCCNc1cccc2CCOc21 Amb24655597 [1,0,1,0,0,0|1,0,1]=4 42 B15R2.4278 NCC\C=C\c1cccc2CCOc21 Amb24685661 [1,0,1,0,0,0|2,0,0]=4 43 B15R2.19139 CCC(=O)Nc1cccc2NCCc21 Amb24503837 [1,0,1,0,0,0|2,0,0]=4 44 B15R2.19139 COC(=O)Nc1cccc2CCCc21 Amb22364734 [1,0,1,0,0,0|2,0,0]=4 45 B15R2.19139 CSC(=N)Nc1cccc2CCCc21 Amb25668117 [1,0,1,0,0,0|1,0,0]=3 46 B17R2.2458 CCOc1ccccc1NC2=NC(CS2)C Amb1104097 [0,1,1,0,0,0|2,0,0]=4 47 B15R1.9453 CCNC(=S)Nc1cccc(c1)OCC Amb2052214 [0,0,2,0,0,0|2,0,0]=4 48 B15R1.3880 CCNC(=S)Nc1ccccc1OCC Amb1839374 [0,0,2,0,0,0|2,0,0]=4 49 B17R3.21035 C1Oc2cc(ccc2O1)NC=3NCCN3 Amb24096251 [0,0,1,1,0,0|2,0,0]=4 50 B15R2.68 CCCc1cc(ccc1)C2CCCN2 Amb25672738 [0,0,1,0,1,0|1,0,1]=4 51 B15R2.68 CCOc1cccc(c1)C2=NCCN2 Amb17578531 [0,0,1,0,1,0|1,0,0]=3 52 B15R2.68 CNCc1cc(ccc1)C=2NCCN2 Amb25287437 [0,0,1,0,1,0|1,0,0]=3 53 B15R2.68 COCc1cccc(c1)C2=NCCN2 Amb17578533 [0,0,1,0,1,0|1,0,0]=3 54 B15R2.19 COc1cccc(c1N)C=2NCCN2 Amb25170563 [0,0,1,0,1,0|2,0,0]=4 55 B15R2.19 COc1cccc(c1O)C2=NCCN2 Amb17578580 [0,0,1,0,1,0|2,0,0]=4 56 B15R2.43 CCCc1ccccc1C2CCCN2 Amb25371985 [0,0,1,0,1,0|1,0,1]=4 57 B15R2.43 CCOc1ncccc1C2=NCCN2 Amb17578565 [0,0,1,0,1,0|2,0,0]=4 58 B15R2.43 CNCc1ccccc1C2=NCCO2 Amb24564172 [0,0,1,0,1,0|2,0,0]=4 59 B15R2.43 CNCc1ccccc1C=2NCCN2 Amb25031576 [0,0,1,0,1,0|1,0,0]=3 60 B15R2.43 COCc1ccccc1C2=NCCN2 Amb17578532 [0,0,1,0,1,0|1,0,0]=3 61 B15R2.16721 CCCc1ccccc1NC2CCC2 Amb19078060 [0,0,1,0,1,0|1,0,1]=4 62 B15R2.5805 Cc1cccc([C@@H]2CCCN2)c1CC Amb25749743 [0,0,1,0,1,0|1,0,1]=4 63 B15R2.5805 Cc1cccc([C@H]2CCCN2)c1CC Amb24722427 [0,0,1,0,1,0|1,0,1]=4 64 B15R2.17340 CCC[C@H](N)c1cccc2CCCc21 Amb25697070 [0,0,1,0,1,0|1,0,1]=4 65 B15R2.17340 CCNC(=O)c1cccc2NCCc12 Amb23585999 [0,0,1,0,1,0|2,0,0]=4 66 B15R2.17340 CCOC(=O)c1cccc2CCCc21 Amb22494741 [0,0,1,0,1,0|2,0,0]=4 67 B15R3.6952 C1COc2c(cccc21)[C@@H]3CCN3 Amb25736335 [0,0,0,0,2,0|1,0,1]=4 68 B15R3.6952 C1COc2c(cccc21)[C@H]3CCN3 Amb24417224 [0,0,0,0,2,0|1,0,1]=4 69 B17R2.5846 CCOc1nccc(c1)CNC2=NCCN2 Amb15733126 [0,0,1,0,0,1|2,0,0]=4 70 B17R2.16287 Cc1cccc(NCC=2NCCN2)c1C#N Amb24102042 [0,0,1,0,0,1|1,0,1]=4 71 B17R2.322318 CCCC(=O)Nc1cccc2NCCCc21 Amb20669392 [0,0,1,0,0,1|2,0,0]=4 72 B17R2.322318 CCCC(=O)Nc1cccc2c1CCCC2 Amb1783186 [0,0,1,0,0,1|2,0,0]=4 73 B19R3.28 C1NCCCC1Nc2cccc3CCCCc32 Amb23932076 [0,0,0,0,0,2|1,0,1]=4 74 B19R3.4444 C1CN=C(N1)COc2cccc3c2CCCC3 Amb17075386 [0,0,0,0,0,2|1,0,0]=3